(R)-4-(4-(2-amino-3-(4-chlorophenyl)propanoyl)piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
Basic information
- Standard SMILES
N#Cc1cnc2[nH]ccc2c1N1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2)CC1- InChIKey
MNPVINOKTQBGMW-GOSISDBHSA-N- Molecular formula
- C21H21ClN6O
- Average molar mass
- 408.9 g/mol
Names & identifiers
- Preferred name
- (R)-4-(4-(2-amino-3-(4-chlorophenyl)propanoyl)piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
- IUPAC
- 4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
Names & synonyms
SCHEMBL3724460MNPVINOKTQBGMW-GOSISDBHSA-N(R)-4-(4-(2-amino-3-(4-chlorophenyl)propanoyl)piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
Database identifiers
- PubChem CID
- 44198751
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 622
Related reactions
1 records
Compound notes
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